NPASS Natural Product

Natural Product: NPC472294

Natural Product ID:	NPC472294
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C29H32N4O
Standard InCHIKey:	LZNUCWPZLBKGBS-YHECQGLUSA-N
Standard InCHI:	InChI=1S/C29H32N4O/c1-2-18-17-33-14-12-29(22-8-4-6-10-24(22)32-28(29)34)26(33)16-19(18)15-25-27-21(11-13-30-25)20-7-3-5-9-23(20)31-27/h2-10,19,25-26,30-31H,11-17H2,1H3,(H,32,34)/b18-2+/t19-,25+,26+,29+/m1/s1
Canonical SMILES:	C/C=C/1CN2CC[C@]3([C@@H]2C[C@H]1C[C@@H]1NCCc2c1[nH]c1c2cccc1)C(=Nc1c3cccc1)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO32666	tabernaemontana	Genus	Apocynaceae	Eukaryota				PMID[25333996]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	>	25	ug/ml	24144848
NPT2	Others	Unspecified		IC50	=	8.4	ug/ml	23570542
NPT91	Cell Line	KB	Homo sapiens	IC50	=	20	ug/ml	24601675

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC472294 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	351
0.1-0.2	1767
0.2-0.3	10781
0.3-0.4	12821
0.4-0.5	2197
0.5-0.6	1439
0.6-0.7	1018
0.7-0.8	490
0.8-0.85	20
0.85-0.9	5
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8639	High Similarity	NPC317430
0.8614	High Similarity	NPC221786
0.8614	High Similarity	NPC475990
0.8614	High Similarity	NPC474880
0.8596	High Similarity	NPC472123
0.8452	Intermediate Similarity	NPC229173
0.8266	Intermediate Similarity	NPC474897
0.8263	Intermediate Similarity	NPC87755
0.8258	Intermediate Similarity	NPC139291
0.8258	Intermediate Similarity	NPC472108
0.8258	Intermediate Similarity	NPC19679
0.822	Intermediate Similarity	NPC476116
0.8177	Intermediate Similarity	NPC475422
0.8167	Intermediate Similarity	NPC15102
0.814	Intermediate Similarity	NPC476118
0.8075	Intermediate Similarity	NPC265576
0.8061	Intermediate Similarity	NPC183407
0.8059	Intermediate Similarity	NPC285469
0.8056	Intermediate Similarity	NPC472110
0.8056	Intermediate Similarity	NPC472109
0.8037	Intermediate Similarity	NPC88097
0.8034	Intermediate Similarity	NPC59269
0.8023	Intermediate Similarity	NPC189812
0.8023	Intermediate Similarity	NPC329688
0.8	Intermediate Similarity	NPC201700
0.7989	Intermediate Similarity	NPC469470
0.7989	Intermediate Similarity	NPC469501
0.7943	Intermediate Similarity	NPC160105
0.7941	Intermediate Similarity	NPC469763
0.7941	Intermediate Similarity	NPC469765
0.7941	Intermediate Similarity	NPC25008
0.7941	Intermediate Similarity	NPC469786
0.7941	Intermediate Similarity	NPC469760
0.7941	Intermediate Similarity	NPC73952
0.7941	Intermediate Similarity	NPC259644
0.7927	Intermediate Similarity	NPC473362
0.7927	Intermediate Similarity	NPC166492
0.7919	Intermediate Similarity	NPC81229
0.7919	Intermediate Similarity	NPC255229
0.7898	Intermediate Similarity	NPC63751
0.7898	Intermediate Similarity	NPC154293
0.7897	Intermediate Similarity	NPC126066
0.7895	Intermediate Similarity	NPC70922
0.7895	Intermediate Similarity	NPC249040
0.7895	Intermediate Similarity	NPC80597
0.7895	Intermediate Similarity	NPC75540
0.7895	Intermediate Similarity	NPC212376
0.7895	Intermediate Similarity	NPC211572
0.7892	Intermediate Similarity	NPC95783
0.7889	Intermediate Similarity	NPC133261
0.7884	Intermediate Similarity	NPC52557
0.7877	Intermediate Similarity	NPC280852
0.7874	Intermediate Similarity	NPC16667
0.7865	Intermediate Similarity	NPC314603
0.7853	Intermediate Similarity	NPC325252
0.7841	Intermediate Similarity	NPC49954
0.7841	Intermediate Similarity	NPC474561
0.7838	Intermediate Similarity	NPC213629
0.7833	Intermediate Similarity	NPC151939
0.7831	Intermediate Similarity	NPC232130
0.7829	Intermediate Similarity	NPC271797
0.7829	Intermediate Similarity	NPC21174
0.7826	Intermediate Similarity	NPC94752
0.7824	Intermediate Similarity	NPC33421
0.7811	Intermediate Similarity	NPC21605
0.7791	Intermediate Similarity	NPC207726
0.7791	Intermediate Similarity	NPC198988
0.7784	Intermediate Similarity	NPC475288
0.7778	Intermediate Similarity	NPC24594
0.7778	Intermediate Similarity	NPC472122
0.7771	Intermediate Similarity	NPC2949
0.7765	Intermediate Similarity	NPC161861
0.7765	Intermediate Similarity	NPC37548
0.7765	Intermediate Similarity	NPC34508
0.7759	Intermediate Similarity	NPC67056
0.7756	Intermediate Similarity	NPC470126
0.7753	Intermediate Similarity	NPC280548
0.7753	Intermediate Similarity	NPC194411
0.775	Intermediate Similarity	NPC476041
0.775	Intermediate Similarity	NPC304926
0.7747	Intermediate Similarity	NPC300688
0.7746	Intermediate Similarity	NPC469785
0.7742	Intermediate Similarity	NPC175474
0.7735	Intermediate Similarity	NPC326575
0.7734	Intermediate Similarity	NPC162748
0.7727	Intermediate Similarity	NPC311276
0.7725	Intermediate Similarity	NPC473868
0.7725	Intermediate Similarity	NPC63157
0.7725	Intermediate Similarity	NPC195314
0.7718	Intermediate Similarity	NPC253580
0.7714	Intermediate Similarity	NPC131718
0.7701	Intermediate Similarity	NPC472112
0.7701	Intermediate Similarity	NPC469762
0.7701	Intermediate Similarity	NPC329858
0.7692	Intermediate Similarity	NPC470440
0.7688	Intermediate Similarity	NPC475602
0.7679	Intermediate Similarity	NPC20144
0.767	Intermediate Similarity	NPC282231
0.7667	Intermediate Similarity	NPC97525
0.7665	Intermediate Similarity	NPC59084
0.7657	Intermediate Similarity	NPC135141
0.7657	Intermediate Similarity	NPC92796
0.7656	Intermediate Similarity	NPC293917
0.765	Intermediate Similarity	NPC472105
0.765	Intermediate Similarity	NPC250835
0.765	Intermediate Similarity	NPC187827
0.7635	Intermediate Similarity	NPC272174
0.7629	Intermediate Similarity	NPC193761
0.7624	Intermediate Similarity	NPC37423
0.7624	Intermediate Similarity	NPC275305
0.7624	Intermediate Similarity	NPC477714
0.7624	Intermediate Similarity	NPC472586
0.7619	Intermediate Similarity	NPC472113
0.7617	Intermediate Similarity	NPC49196
0.7617	Intermediate Similarity	NPC23420
0.7617	Intermediate Similarity	NPC79129
0.7617	Intermediate Similarity	NPC313985
0.7617	Intermediate Similarity	NPC205254
0.7617	Intermediate Similarity	NPC195461
0.7617	Intermediate Similarity	NPC303820
0.7617	Intermediate Similarity	NPC249150
0.7617	Intermediate Similarity	NPC81654
0.7617	Intermediate Similarity	NPC106771
0.7616	Intermediate Similarity	NPC53947
0.7614	Intermediate Similarity	NPC279918
0.7612	Intermediate Similarity	NPC251936
0.7606	Intermediate Similarity	NPC314333
0.7604	Intermediate Similarity	NPC171317
0.7604	Intermediate Similarity	NPC50503
0.7604	Intermediate Similarity	NPC473640
0.76	Intermediate Similarity	NPC473757
0.7598	Intermediate Similarity	NPC474896
0.7598	Intermediate Similarity	NPC471506
0.7596	Intermediate Similarity	NPC270009
0.7596	Intermediate Similarity	NPC219336
0.7596	Intermediate Similarity	NPC213468
0.7592	Intermediate Similarity	NPC11445
0.7588	Intermediate Similarity	NPC204141
0.7588	Intermediate Similarity	NPC314372
0.7586	Intermediate Similarity	NPC38736
0.7586	Intermediate Similarity	NPC470507
0.7584	Intermediate Similarity	NPC470508
0.7581	Intermediate Similarity	NPC476319
0.7577	Intermediate Similarity	NPC475935
0.7577	Intermediate Similarity	NPC52909
0.7577	Intermediate Similarity	NPC94211
0.7568	Intermediate Similarity	NPC48938
0.7565	Intermediate Similarity	NPC100321
0.7563	Intermediate Similarity	NPC477065
0.7561	Intermediate Similarity	NPC31097
0.756	Intermediate Similarity	NPC115611
0.7558	Intermediate Similarity	NPC187951
0.7557	Intermediate Similarity	NPC230869
0.7554	Intermediate Similarity	NPC91179
0.7554	Intermediate Similarity	NPC15840
0.7553	Intermediate Similarity	NPC46413
0.7553	Intermediate Similarity	NPC321708
0.7543	Intermediate Similarity	NPC141353
0.7541	Intermediate Similarity	NPC15573
0.7541	Intermediate Similarity	NPC217372
0.7541	Intermediate Similarity	NPC293472
0.7541	Intermediate Similarity	NPC183662
0.7541	Intermediate Similarity	NPC68354
0.7539	Intermediate Similarity	NPC157828
0.7539	Intermediate Similarity	NPC195239
0.7537	Intermediate Similarity	NPC473310
0.753	Intermediate Similarity	NPC218268
0.7529	Intermediate Similarity	NPC242556
0.7528	Intermediate Similarity	NPC102423
0.7528	Intermediate Similarity	NPC194640
0.7527	Intermediate Similarity	NPC165201
0.7525	Intermediate Similarity	NPC314957
0.7525	Intermediate Similarity	NPC472027
0.7514	Intermediate Similarity	NPC24678
0.7514	Intermediate Similarity	NPC105818
0.7514	Intermediate Similarity	NPC192270
0.7512	Intermediate Similarity	NPC477175
0.7512	Intermediate Similarity	NPC470730
0.7512	Intermediate Similarity	NPC471080
0.7512	Intermediate Similarity	NPC469592
0.75	Intermediate Similarity	NPC472443
0.75	Intermediate Similarity	NPC216643
0.75	Intermediate Similarity	NPC6215
0.7488	Intermediate Similarity	NPC477715
0.7487	Intermediate Similarity	NPC188387
0.7487	Intermediate Similarity	NPC475506
0.7487	Intermediate Similarity	NPC163421
0.7486	Intermediate Similarity	NPC476219
0.7476	Intermediate Similarity	NPC475969
0.7476	Intermediate Similarity	NPC475859
0.7475	Intermediate Similarity	NPC54420
0.7473	Intermediate Similarity	NPC472444
0.7473	Intermediate Similarity	NPC470205
0.7473	Intermediate Similarity	NPC313791
0.7471	Intermediate Similarity	NPC470233
0.7471	Intermediate Similarity	NPC190296
0.7464	Intermediate Similarity	NPC33949
0.7463	Intermediate Similarity	NPC75634
0.7462	Intermediate Similarity	NPC475070
0.746	Intermediate Similarity	NPC102338

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC472294 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	216
0.1-0.2	514
0.2-0.3	1034
0.3-0.4	1377
0.4-0.5	2616
0.5-0.6	2190
0.6-0.7	1012
0.7-0.8	196
0.8-0.85	6
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8412	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.8249	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.8167	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.814	Intermediate Similarity	NPD5140	Approved
0.814	Intermediate Similarity	NPD5138	Approved
0.8125	Intermediate Similarity	NPD5065	Approved
0.7979	Intermediate Similarity	NPD3230	Clinical (unspecified phase)
0.7944	Intermediate Similarity	NPD6595	Phase 3
0.7892	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7882	Intermediate Similarity	NPD6158	Phase 2
0.7882	Intermediate Similarity	NPD2882	Phase 1
0.7882	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7865	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD1325	Approved
0.7853	Intermediate Similarity	NPD1326	Approved
0.7835	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7831	Intermediate Similarity	NPD1592	Phase 3
0.7824	Intermediate Similarity	NPD5426	Phase 3
0.779	Intermediate Similarity	NPD8386	Phase 2
0.7754	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7753	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7747	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7735	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD6492	Phase 2
0.7719	Intermediate Similarity	NPD4462	Approved
0.7719	Intermediate Similarity	NPD4463	Approved
0.7706	Intermediate Similarity	NPD4702	Approved
0.7706	Intermediate Similarity	NPD4703	Approved
0.7705	Intermediate Similarity	NPD7867	Phase 1
0.7688	Intermediate Similarity	NPD8431	Approved
0.7663	Intermediate Similarity	NPD5596	Phase 2
0.7663	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7656	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7637	Intermediate Similarity	NPD4181	Approved
0.7617	Intermediate Similarity	NPD4601	Approved
0.7617	Intermediate Similarity	NPD4600	Approved
0.7606	Intermediate Similarity	NPD4499	Approved
0.7596	Intermediate Similarity	NPD4076	Approved
0.7596	Intermediate Similarity	NPD4079	Approved
0.7594	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD2380	Approved
0.7582	Intermediate Similarity	NPD2381	Approved
0.7582	Intermediate Similarity	NPD2382	Approved
0.7571	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD8322	Phase 2
0.7563	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD1683	Approved
0.7541	Intermediate Similarity	NPD3506	Approved
0.7541	Intermediate Similarity	NPD2144	Approved
0.7541	Intermediate Similarity	NPD3505	Approved
0.7539	Intermediate Similarity	NPD7619	Phase 3
0.7539	Intermediate Similarity	NPD7618	Phase 3
0.7528	Intermediate Similarity	NPD3323	Discontinued
0.7525	Intermediate Similarity	NPD7666	Phase 3
0.7525	Intermediate Similarity	NPD7665	Phase 2
0.7514	Intermediate Similarity	NPD3038	Discontinued
0.7512	Intermediate Similarity	NPD7824	Approved
0.75	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7488	Intermediate Similarity	NPD7271	Approved
0.7486	Intermediate Similarity	NPD6285	Phase 2
0.7474	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.7473	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD3717	Discontinued
0.7463	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7432	Intermediate Similarity	NPD4128	Approved
0.7429	Intermediate Similarity	NPD2837	Discontinued
0.7427	Intermediate Similarity	NPD5254	Discontinued
0.7418	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD7730	Approved
0.7416	Intermediate Similarity	NPD7731	Approved
0.7414	Intermediate Similarity	NPD2172	Phase 1
0.7412	Intermediate Similarity	NPD1722	Approved
0.741	Intermediate Similarity	NPD3385	Approved
0.7402	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD6999	Discontinued
0.7376	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD7948	Phase 1
0.7356	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD3404	Approved
0.7341	Intermediate Similarity	NPD7469	Discontinued
0.734	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.7327	Intermediate Similarity	NPD7470	Discontinued
0.7324	Intermediate Similarity	NPD7951	Approved
0.7324	Intermediate Similarity	NPD7950	Approved
0.7324	Intermediate Similarity	NPD7789	Approved
0.7324	Intermediate Similarity	NPD7790	Approved
0.7324	Intermediate Similarity	NPD7953	Approved
0.7324	Intermediate Similarity	NPD7791	Approved
0.7324	Intermediate Similarity	NPD7952	Approved
0.7322	Intermediate Similarity	NPD6828	Phase 2
0.7322	Intermediate Similarity	NPD6827	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD6976	Clinical (unspecified phase)
0.7316	Intermediate Similarity	NPD3961	Discontinued
0.7314	Intermediate Similarity	NPD3835	Phase 3
0.7314	Intermediate Similarity	NPD3833	Phase 3
0.731	Intermediate Similarity	NPD6301	Phase 2
0.7308	Intermediate Similarity	NPD2844	Phase 3
0.7308	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD8395	Approved
0.7296	Intermediate Similarity	NPD8396	Approved
0.7294	Intermediate Similarity	NPD786	Approved
0.7292	Intermediate Similarity	NPD5913	Phase 3
0.7292	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7291	Intermediate Similarity	NPD8093	Discontinued
0.7286	Intermediate Similarity	NPD8115	Approved
0.7286	Intermediate Similarity	NPD8114	Approved
0.7263	Intermediate Similarity	NPD1554	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD4501	Approved
0.7259	Intermediate Similarity	NPD4500	Approved
0.7255	Intermediate Similarity	NPD8094	Discontinued
0.7251	Intermediate Similarity	NPD6165	Phase 2
0.7251	Intermediate Similarity	NPD6977	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD6164	Phase 2
0.7251	Intermediate Similarity	NPD6978	Phase 2
0.725	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD7957	Phase 1
0.7236	Intermediate Similarity	NPD4886	Phase 2
0.7231	Intermediate Similarity	NPD7935	Phase 2
0.7222	Intermediate Similarity	NPD4511	Phase 1
0.7213	Intermediate Similarity	NPD5862	Discovery
0.7213	Intermediate Similarity	NPD5021	Discontinued
0.7213	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD6227	Discontinued
0.7208	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD2092	Phase 2
0.7196	Intermediate Similarity	NPD2095	Phase 2
0.7196	Intermediate Similarity	NPD2094	Phase 2
0.7188	Intermediate Similarity	NPD6965	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD5473	Discontinued
0.7179	Intermediate Similarity	NPD4602	Approved
0.7178	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7173	Intermediate Similarity	NPD6217	Discontinued
0.7167	Intermediate Similarity	NPD5255	Approved
0.7166	Intermediate Similarity	NPD6159	Phase 2
0.7164	Intermediate Similarity	NPD6403	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD8403	Phase 1
0.7159	Intermediate Similarity	NPD3100	Discontinued
0.7158	Intermediate Similarity	NPD6178	Phase 3
0.7158	Intermediate Similarity	NPD2096	Phase 2
0.7158	Intermediate Similarity	NPD2091	Phase 2
0.7157	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD482	Approved
0.715	Intermediate Similarity	NPD8072	Approved
0.715	Intermediate Similarity	NPD1043	Phase 3
0.7143	Intermediate Similarity	NPD8408	Discontinued
0.7136	Intermediate Similarity	NPD7781	Approved
0.7136	Intermediate Similarity	NPD7780	Approved
0.7135	Intermediate Similarity	NPD3609	Approved
0.7135	Intermediate Similarity	NPD3610	Approved
0.7123	Intermediate Similarity	NPD7711	Discontinued
0.7122	Intermediate Similarity	NPD3330	Phase 1
0.712	Intermediate Similarity	NPD4639	Approved
0.712	Intermediate Similarity	NPD4640	Approved
0.712	Intermediate Similarity	NPD4638	Approved
0.7118	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD8272	Phase 2
0.7112	Intermediate Similarity	NPD4075	Phase 2
0.7112	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD4326	Phase 2
0.7109	Intermediate Similarity	NPD7717	Approved
0.7109	Intermediate Similarity	NPD7716	Approved
0.71	Intermediate Similarity	NPD8073	Approved
0.7095	Intermediate Similarity	NPD5257	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD5658	Approved
0.7077	Intermediate Similarity	NPD4615	Phase 2
0.7076	Intermediate Similarity	NPD1262	Discovery
0.7071	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD6506	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD6281	Approved
0.7059	Intermediate Similarity	NPD6545	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD8021	Approved
0.7047	Intermediate Similarity	NPD8020	Approved
0.7042	Intermediate Similarity	NPD7603	Discontinued
0.7035	Intermediate Similarity	NPD7308	Discontinued
0.7031	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD8098	Approved
0.7027	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD2390	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD2640	Approved
0.7027	Intermediate Similarity	NPD2641	Approved
0.7024	Intermediate Similarity	NPD7825	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD5104	Approved
0.702	Intermediate Similarity	NPD6664	Approved
0.702	Intermediate Similarity	NPD5003	Discontinued
0.7019	Intermediate Similarity	NPD7543	Phase 2
0.7011	Intermediate Similarity	NPD4550	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD2509	Approved
0.701	Intermediate Similarity	NPD2510	Approved
0.7006	Intermediate Similarity	NPD4547	Phase 3
0.7005	Intermediate Similarity	NPD4998	Phase 3

Structure

NPC472294 OpenBabel07101718202D 34 40 0 0 1 0 0 0 0 0999 V2000 1.2202 -5.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -5.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8368 -2.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8368 -3.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9707 -1.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9707 -3.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7469 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -2.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -3.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -4.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -4.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -3.4451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1047 -2.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1047 -3.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5714 -2.7406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5878 -2.4271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5659 -2.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1646 -1.8271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 -3.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.2361 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5878 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 18 2 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 20 2 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 10 24 2 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 13 30 1 0 0 0 0 14 33 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 15 1 1 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 27 2 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 15 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 26 29 1 6 0 0 0 26 33 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 28 34 1 0 0 0 0 29 12 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3358047
ZINC

Physicochemical Properties

Molecular Weight:	452.26
ALogP:	0.083
MLogP:	4.1
XLogP:	4.833
# Rotatable Bonds:	4
Polar Surface Area:	63.65
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	7
# Heavy Atoms:	34

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs